Details of the Drug

General Information of Drug (ID: DM2LBFW)

Drug Name
3-Hydroxyhippuric acid
Synonyms
3-hydroxyhippuric acid; m-Hydroxyhippuric acid; 1637-75-8; (3-Hydroxybenzoylamino)acetic acid; 2-[(3-hydroxyphenyl)formamido]acetic acid; Glycine, N-(3-hydroxybenzoyl)-; UNII-17HCX0HNRT; N-m-Hydroxylbenzoylglycine; 3-Hydroxybenzoylglycine; 17HCX0HNRT; CHEMBL447627; Glycine,N-(3-hydroxybenzoyl)-; (3-hydroxybenzamido)acetic acid; CHEBI:70824; m-Hydroxyhippurate; 3-Hydroxyhippurate; AC1L9OTS; (3-hydroxybenzoyl)glycine; AC1Q75XZ; N-(3-hydroxybenzoyl)glycine; SCHEMBL600772; CTK4D1647; DTXSID30167650; MolPort-004-292-678
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 195.17
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H9NO4
IUPAC Name
2-[(3-hydroxybenzoyl)amino]acetic acid
Canonical SMILES
C1=CC(=CC(=C1)O)C(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey
XDOFWFNMYJRHEW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
450268
ChEBI ID
CHEBI:70824
CAS Number
1637-75-8
DrugBank ID
DB07069
TTD ID
D05JZS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Kynureninase (KYNU) TTWQM3J KYNU_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.